2-(1H-benzimidazol-2-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide

C17H17N3O3S — CID 23771917

IUPAC2-(1H-benzimidazol-2-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CS(=O)(=O)c2nc3ccccc3[nH]2)cc1C
InChIInChI=1S/C17H17N3O3S/c1-11-7-8-13(9-12(11)2)18-16(21)10-24(22,23)17-19-14-5-3-4-6-15(14)20-17/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyIULSIUCRXKCIJT-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.59
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide

2-(1H-benzimidazol-2-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide (PubChem CID 23771917) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide
PubChem CID23771917
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name2-(1H-benzimidazol-2-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CS(=O)(=O)c2nc3ccccc3[nH]2)cc1C
InChIInChI=1S/C17H17N3O3S/c1-11-7-8-13(9-12(11)2)18-16(21)10-24(22,23)17-19-14-5-3-4-6-15(14)20-17/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyIULSIUCRXKCIJT-UHFFFAOYSA-N
XLogP2.59
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfonyl]acetamide
CID 23969973
2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide
CID 22583020
2-[3-(1H-benzimidazol-2-yl)propyl]-1-(3,4-dimethylphenyl)guanidine
CID 111064170
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 22584796
3-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-(3,4-dimethylphenyl)propanamide
CID 50811738
2-(1H-benzimidazol-2-ylsulfanyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 16539526
N-(3,4-dimethylphenyl)-2-[(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl)sulfonyl]acetamide
CID 46346276
2-(1H-benzimidazol-2-ylsulfonylamino)-N-methylacetamide
CID 91621220
N-(3,4-dimethylphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755203
N-(1H-benzimidazol-2-yl)-2-propylsulfonylacetamide
CID 47377841
N-[2-(3,4-dimethylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide
CID 170858386
N-[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-4-methylnaphthalene-1-carboxamide
CID 1213552

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide (CID 23771917) is 2-(1H-benzimidazol-2-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CS(=O)(=O)c2nc3ccccc3[nH]2)cc1C.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is IULSIUCRXKCIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-11-7-8-13(9-12(11)2)18-16(21)10-24(22,23)17-19-14-5-3-4-6-15(14)20-17/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide?
2-(1H-benzimidazol-2-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 343.41 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfonyl)-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 23771917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).